3-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxidanylidene-ethyl]-1-(phenylmethyl)pyrimidine-2,4-dione

Systemtic Name: 3-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxidanylidene-ethyl]-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 1-benzyl-3-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxo-ethyl]pyrimidine-2,4-dione CAS Name: 3-[2-[2-(4-methoxyphenyl)-1-azepanyl]-2-oxoethyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 1-benzyl-3-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]pyrimidine-2,4-dione Traditional Name: 1-benzyl-3-[2-keto-2-[2-(4-methoxyphenyl)azepan-1-yl]ethyl]pyrimidine-2,4-quinone Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CN3C(=O)C=CN(C3=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CN3C(=O)C=CN(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4/c1-33-22-13-11-21(12-14-22)23-10-6-3-7-16-28(23)25(31)19-29-24(30)15-17-27(26(29)32)18-20-8-4-2-5-9-20/h2,4-5,8-9,11-15,17,23H,3,6-7,10,16,18-19H2,1H3